K44

5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE

Created:	2005-05-18
Last modified:	2020-06-05

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1 entries where K44 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	10

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Chemical Component Summary
Name	5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE
Synonyms	N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE
Systematic Name (OpenEye OEToolkits)	(3R)-5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole
Formula	C₁₀ H₇ Br₄ N₃
Molecular Weight	488.799
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1c2nc3n(c2c(Br)c(Br)c1Br)CCN3C
SMILES	CACTVS	3.341	CN1CCn2c1nc3c(Br)c(Br)c(Br)c(Br)c23
SMILES	OpenEye OEToolkits	1.5.0	CN1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br
Canonical SMILES	CACTVS	3.341	CN1CCn2c1nc3c(Br)c(Br)c(Br)c(Br)c23
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br
InChI	InChI	1.03	InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3
InChIKey	InChI	1.03	QHCZROILDUNGRT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04721
Name	N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE
Groups	experimental
Synonyms	N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Casein kinase II subunit alpha	MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKY...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682